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3658-44-4 | Dodecanoic acid, undecyl ester
CAS No: 3658-44-4 Catalog No: AG0039AI MDL No:
Product Description
Catalog Number:
AG0039AI
Chemical Name:
Dodecanoic acid, undecyl ester
CAS Number:
3658-44-4
Molecular Formula:
C23H46O2
Molecular Weight:
354.6101
IUPAC Name:
undecyl dodecanoate
InChI:
InChI=1S/C23H46O2/c1-3-5-7-9-11-13-15-17-19-21-23(24)25-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChI Key:
JHDNXONYKMEEBK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOC(=O)CCCCCCCCCCC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.35g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.619g/mol
Monoisotopic Mass:
354.35g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
Literature
| Title | Journal |
|---|---|
| Preliminary study on biomarkers for the fungal resistance in Vitis vinifera leaves. | Journal of plant physiology 20080526 |
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